SCHEMBL4928502

SCHEMBL4928502

CONC(=O)Cc1ccc(OC)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.73
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.58
▸ EPHX2 P34913 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.57
▸ MAPT P10636 2/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ CNR2 P34972 2/20 0.55
▸ ERCC1 P07992 1/20 0.55
▸ ERCC4 Q92889 1/20 0.55
▸ EGFR P00533 1/20 0.55
▸ ERBB2 P04626 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2494898 0.85 HTT (0.73) HTTSMN1; SMN2NPC1LMNATDP1
SCHEMBL6884651 0.85 PTGS1 (0.67) HTTSMN1; SMN2NPC1LMNAMAPT
SCHEMBL19091783 0.84 SMN1; SMN2 (0.57) HTTSMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL3369060 0.83 HTT (0.76) HTTSMN1; SMN2NPC1LMNATDP1
SCHEMBL10684986 0.83 HTT (0.76) HTTSMN1; SMN2NPC1LMNATDP1
SCHEMBL14271130 0.83 HTT (0.55) HTTSMN1; SMN2NPC1LMNATDP1
SCHEMBL4510673 0.83 SMN1; SMN2 (0.57) HTTSMN1; SMN2LMNATDP1ALDH1A1
SCHEMBL17054176 0.82 ALDH1A1 (0.67) HTTSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3438778 0.82 KDM4E (0.72) HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL3369054 0.81 HTT (0.73) HTTSMN1; SMN2NPC1LMNATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045726-A1 Spirolactams and Their Synthesis LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-02-21 — — US disclosed
US-20080045726-A1 Spirolactams and Their Synthesis LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-02-21 — — US disclosed
US-7291728-B2 Spirolactams and their synthesis LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2007-11-06 — — US disclosed
US-7291728-B2 Spirolactams and their synthesis LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2007-11-06 — — US disclosed
EP-1771410-A1 SPIROLACTAMS AND THEIR SYNTHESIS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-04-11 — — EP disclosed
WO-2005108356-A1 SPIROLACTAMS AND THEIR SYNTHESIS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-11-17 — — WO disclosed
EP-1595865-A1 New spirolactams and their synthesis LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-11-16 — — EP disclosed
US-20050250759-A1 Spirolactams and their synthesis LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-11-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045726-A1 Spirolactams and Their Synthesis VKORC1, VKORC1L1, DHPS HTT 4166/4885SMN1; SMN2 4635/4885NPC1 2503/4885
US-20050250759-A1 Spirolactams and their synthesis VKORC1, DHPS, SRI HTT 3079/4885SMN1; SMN2 4533/4885NPC1 1478/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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